1-(azepan-1-yl)-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-(azepan-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxy-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-chloro-1-benzotriazolyl)oxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone Traditional Name: 1-(azepan-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxy-ethanone Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C14H17ClN4O2/c15-11-5-6-12-13(9-11)19(17-16-12)21-10-14(20)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2